Hello Justin and Ravi, Lets explain me Why I did simulated anealing?? ..
I synthesise peptide and I have experimental data for its self assembly, I just want to reproduced these data. I arranged the 32 protein in axis to petide fibre, in antiparrallel Beta sheet structure. I dont have crystal structure , Thats why I did SA in the hope that after these the side chain may be get properly oriented with respect to each other.That will give me good structure for production run. I also run system withought SA , but I get good result by following SA protocol. In posrestrain only backbone is restrained and the sidechain is free to move, So I think it may be help to achieve my goal. After these I also plan to use SA as production run, then compare the result with previous protocols. Please give valuable suggestion to improve my study protocol.. With Best Wishes, Rama David.
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
